1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone

C12H18O3S — CID 60918638

IUPAC1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
SMILESCCc1ccc(C(=O)COCCCOC)s1
InChIInChI=1S/C12H18O3S/c1-3-10-5-6-12(16-10)11(13)9-15-8-4-7-14-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyXPPCSSRGIIYUOW-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.55
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone

1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone (PubChem CID 60918638) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
PubChem CID60918638
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
SMILESCCc1ccc(C(=O)COCCCOC)s1
InChIInChI=1S/C12H18O3S/c1-3-10-5-6-12(16-10)11(13)9-15-8-4-7-14-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyXPPCSSRGIIYUOW-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403816
1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
CID 43801255
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031414
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
CID 63558654
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 24671197
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780489
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone (CID 60918638) is 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone is CCc1ccc(C(=O)COCCCOC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone?
The InChIKey is XPPCSSRGIIYUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-3-10-5-6-12(16-10)11(13)9-15-8-4-7-14-2/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone?
1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone has a molecular weight of 242.34 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone is sourced from PubChem (CID 60918638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).